SCHEMBL6715659

SCHEMBL6715659

Oc1c(Cc2ccccc2)cnc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.42
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
PAX8 Q06710 1/20 0.39
MET P08581 2/20 0.39
USP2 O75604 1/20 0.38
AURKA O14965 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE1B Q01064 1/20 0.36
ALOX5 P09917 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24129479 0.82 SLC6A4 (0.38) ENPP1METUSP2PDE1B
SCHEMBL2589386 0.75 ENPP1 (0.53) ENPP1USP2GAASMN1; SMN2MAPT
SCHEMBL7096531 0.73 ALDH1A1 (0.48) AURKAGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2582203 0.72 ENPP1 (0.51) ENPP1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL19668727 0.72 RAB9A (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL10336647 0.69 ENPP1 (0.47) ENPP1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL19668746 0.67 NPC1 (0.53) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL24129195 0.65 SLC6A2 (0.38) ENPP1USP2ALDH1A1SMN1; SMN2PDE1B
SCHEMBL4694580 0.64 ENPP1 (0.53) ENPP1GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL3916291 0.64 BCL2 (0.47) BCL2BCL2L1PAX8ALDH1A1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063729-A1 Microbiocides BAYER CROPSCIENCE K. K. (JP) 2004-04-01 US disclosed
EP-1345940-A2 TRIAZOLOPYRIMIDINES Bayer CropScience K.K. (JP) 2003-09-24 EP disclosed
WO-2002051845-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE K.K. (DE) 2002-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063729-A1 Microbiocides FPR1, MPO, FPR2 ENPP1 929/4885BCL2 1656/4885BCL2L1 1682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.